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List Of Software For Nanostructures Modeling
This is a list of computer programs that are used to model nanostructures at the levels of classical mechanics and quantum mechanics. Furiousatoms- a powerful software for molecular modelling and visualization * Aionics.io - a powerful platform for nanoscale modelling * Ascalaph Designer * Atomistix ToolKit and Virtual NanoLab * CoNTub * CP2K * CST Studio Suite * Deneb – graphical user interface (GUI) for SIESTA, VASP, QE, etc., DFT calculation packages * Exabyte.io - a cloud-native integrated platform for nanoscale modeling, supporting simulations at multiple scales, including Density Functional Theory and Molecular Dynamics * JCMsuite – a finite element analysis software for simulating optical properties of nanostructures *LAMMPS – Open source molecular dynamics codeMAPS- Graphical user interface to build complex systems (nanostructures, polymers, surfaces...), set up and analyze ab-initio (Quantum Espresso, VASP, Abinit, NWChem...) or classical (LAMMPS, Towhee) simulati ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Nanotube(10,10)Armchair
A nanotube is a nanometer-scale hollow tube-like structure. Kinds of nanotubes * BCN nanotube, composed of comparable amounts of boron, carbon, and nitrogen atoms * Boron nitride nanotube, a polymorph of boron nitride * Carbon nanotube, includes general nanotube terminology and diagrams * DNA nanotube, a two-dimensional lattice which curves back upon itself, somewhat similar in size and shape to a carbon nanotube * Gallium nitride nanotube, a nanotube of gallium nitride * Silicon nanotube, made of silicon atoms * Non-carbon nanotube, especially tungsten(IV) sulfide nanotubes * Tunneling nanotube A tunneling nanotube (TNT) or membrane nanotube is a term that has been applied to protrusions that extend from the plasma membrane which enable different animal cells to touch over long distances, sometimes over 100 μm between T cells. Two ty ..., a tubular membrane connection between cells * Titanium nanotubes, created by the conversion of the mineral anatase by hydrothermal synth ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Materials Studio
Materials Studio is software for simulating and modeling materials. It is developed and distributed by BIOVIA (formerly Accelrys), a firm specializing in research software for computational chemistry, bioinformatics, cheminformatics, molecular dynamics simulation, and quantum mechanics. This software is used in advanced research of various materials, such as polymers, carbon nanotubes, catalysts, metals, ceramics, and so on, by universities (e.g., North Dakota State University), research centers, and high tech companies. Materials Studio is a client–server model software package with Microsoft Windows-based PC clients and Windows and Linux-based servers running on PCs, Linux IA-64 workstations (including Silicon Graphics (SGI) Altix) and HP XC clusters. Software components *Analytical and Crystallization: to investigate, predict, and modify crystal structure and crystal growth. **Morphology **Polymorph Predictor **Reflex, Reflex Plus, Reflex QPA: to assist the interpretat ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Graphene
Graphene () is an allotrope of carbon consisting of a single layer of atoms arranged in a hexagonal lattice nanostructure. "Carbon nanostructures for electromagnetic shielding applications", Mohammed Arif Poothanari, Sabu Thomas, et al., ''Industrial Applications of Nanomaterials'', 2019. "Carbon nanostructures include various low-dimensional allotropes of carbon including carbon black (CB), carbon fiber, carbon nanotubes (CNTs), fullerene, and graphene." The name is derived from "graphite" and the suffix -ene, reflecting the fact that the allotrope of carbon contains numerous double bonds. Each atom in a graphene sheet is connecte ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Boron Nitride
Boron nitride is a thermally and chemically resistant refractory compound of boron and nitrogen with the chemical formula BN. It exists in various crystalline forms that are isoelectronic to a similarly structured carbon lattice. The hexagonal form corresponding to graphite is the most stable and soft among BN polymorphs, and is therefore used as a lubricant and an additive to cosmetic products. The cubic ( zincblende aka sphalerite structure) variety analogous to diamond is called c-BN; it is softer than diamond, but its thermal and chemical stability is superior. The rare wurtzite BN modification is similar to lonsdaleite but slightly softer than the cubic form. Because of excellent thermal and chemical stability, boron nitride ceramics are used in high-temperature equipment and metal casting. Boron nitride has potential use in nanotechnology. Structure Boron nitride exists in multiple forms that differ in the arrangement of the boron and nitrogen atoms, giving rise to varyin ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Carbon Nanotube
A scanning tunneling microscopy image of a single-walled carbon nanotube Rotating single-walled zigzag carbon nanotube A carbon nanotube (CNT) is a tube made of carbon with diameters typically measured in nanometers. ''Single-wall carbon nanotubes'' (''SWCNTs'') are one of the allotropes of carbon, intermediate between fullerene cages and flat graphene, with diameters in the range of a nanometre. Although not made this way, single-wall carbon nanotubes can be idealized as cutouts from a two-dimensional Hexagonal tiling, hexagonal lattice of carbon atoms rolled up along one of the Bravais lattice vectors of the hexagonal lattice to form a hollow cylinder. In this construction, periodic boundary conditions are imposed over the length of this roll-up vector to yield a helical lattice of seamlessly bonded carbon atoms on the cylinder surface. ''Multi-wall carbon nanotubes'' (''MWCNTs'') consisting of nested single-wall carbon nanotubes weakly bound together by van der Waals ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecule Editor
A molecule editor is a computer program for creating and modifying representations of chemical structures. Molecule editors can manipulate chemical structure representations in either a simulated two-dimensional space or three-dimensional space, via 2D computer graphics or 3D computer graphics, respectively. Two-dimensional output is used as illustrations or to query chemical databases. Three-dimensional output is used to build molecular models, usually as part of molecular modelling software packages. Database molecular editors such as Leatherface, RECAP, and Molecule Slicer allow large numbers of molecules to be modified automatically according to rules such as 'deprotonate carboxylic acids' or 'break exocyclic bonds' that can be specified by a user. Molecule editors typically support reading and writing at least one file format or line notation. Examples of each include Molfile and simplified molecular input line entry specification (SMILES), respectively. Files generated by ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecular Design Software
Molecular design software is notable software for molecular modeling, that provides special support for developing molecular models ''de novo''. In contrast to the usual molecular modeling programs, such as for molecular dynamics and quantum chemistry, such software ''directly'' supports the aspects related to constructing molecular models, including: * Molecular graphics * interactive molecular drawing and conformational editing * building polymeric molecules, crystals, and solvated systems * partial charges development * geometry optimization * support for the different aspects of force field development Comparison of software covering the major aspects of molecular design Notes and references See also {{columns-list, colwidth=30em, *Molecule editor *Molecular modelling *Molecular modeling on GPUs *Protein design *Drug design *Force field (chemistry) *Comparison of force field implementations *Comparison of nucleic acid simulation software *Comparison of software for ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Comparison Of Nucleic Acid Simulation Software
This is a list of notable computer programs that are used for nucleic acid Nucleic acids are biopolymers, macromolecules, essential to all known forms of life. They are composed of nucleotides, which are the monomers made of three components: a 5-carbon sugar, a phosphate group and a nitrogenous base. The two main cl ...s simulations. See also References Computational chemistry software Software comparisons Molecular dynamics software Molecular modelling software {{science-software-stub ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Comparison Of Software For Molecular Mechanics Modeling
This is a list of computer programs that are predominantly used for molecular mechanics calculations. See also *Car–Parrinello molecular dynamics *Comparison of force-field implementations *Comparison of nucleic acid simulation software *List of molecular graphics systems *List of protein structure prediction software *List of quantum chemistry and solid-state physics software * List of software for Monte Carlo molecular modeling * List of software for nanostructures modeling *Molecular design software *Molecular dynamics *Molecular modeling on GPUs *Molecule editor A molecule editor is a computer program for creating and modifying representations of chemical structures. Molecule editors can manipulate chemical structure representations in either a simulated two-dimensional space or three-dimensional space, v ... Notes and references External linksSINCRIS [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
List Of Quantum Chemistry And Solid State Physics Software
Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods. The programs include both open source Open source is source code that is made freely available for possible modification and redistribution. Products include permission to use the source code, design documents, or content of the product. The open-source model is a decentralized sof ... and commercial software. Most of them are large, often containing several separate programs, and have been developed over many years. Overview The following tables illustrates some of the main capabilities of notable packages: Numerical details Quantum chemistry and solid-state physics characteristics Post processing packages in quantum chemistry and solid-state physics ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Scigress
Scigress, stylized SCiGRESS, is a software suite for molecular modelling, computational chemistry, drug design, and materials science, a successor to ''Computer Aided Chemistry'' (CAChe) software. About Scigress is a molecular modeling suite for both experimental and computational chemists and biochemists. It enables researchers to study and design wide range of molecular systems: * organic * inorganic * polymers * proteins * metals, oxides, and ceramics Functions * Intuitive, easy to learn, property driven user interface including molecule editor and batch processing. * Theory levels: DFT, semi-empirical, molecular mechanics and dynamics. * Determination of low energy conformations and thermodynamic properties. * Calculare and 3D-visualize electronic properties: partial charges, orbitals, electron densities, and electrostatic surfaces and more. * Analysis of chemical reactions: transition states and intrinsic reaction coordinates. * Spectroscopic properties analysis: ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
SAMSON
Samson (; , '' he, Šīmšōn, label= none'', "man of the sun") was the last of the judges of the ancient Israelites mentioned in the Book of Judges (chapters 13 to 16) and one of the last leaders who "judged" Israel before the institution of the monarchy. He is sometimes considered as an Israelite version of the popular Near Eastern folk hero also embodied by the Sumerian Enkidu and the Greek Heracles. The biblical account states that Samson was a Nazirite, and that he was given immense strength to aid him against his enemies and allow him to perform superhuman feats, including slaying a lion with his bare hands and massacring an entire army of Philistines using only the jawbone of a donkey. However, if Samson's long hair were cut, then his Nazirite vow would be violated and he would lose his strength. Samson is betrayed by his lover Delilah, who, sent by the Philistines officials to entice him, orders a servant to cut his hair while he is sleeping and turns him over to hi ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
